CID 5274423

Chembl180161

Structural Information

Molecular Formula

C₁₃H₁₆ClNO₂

SMILES

C1CCC(CC1)C(=O)N(C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C13H16ClNO2/c14-11-6-8-12(9-7-11)15(17)13(16)10-4-2-1-3-5-10/h6-10,17H,1-5H2

InChIKey

FXAFVMIOYIOHOW-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)-N-hydroxycyclohexanecarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 253.08696 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	254.09424	155.8
[M+Na]+	276.07618	160.3
[M-H]-	252.07968	161.5
[M+NH4]+	271.12078	172.8
[M+K]+	292.05012	156.8
[M+H-H2O]+	236.08422	149.3
[M+HCOO]-	298.08516	171.3
[M+CH3COO]-	312.10081	194.1
[M+Na-2H]-	274.06163	158.2
[M]+	253.08641	153.0
[M]-	253.08751	153.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.